Vitas-M small molecule compound
(3aR,6S)-2-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Catalog ID
STL534241
SMILES COCCCNC(=O)C1[C@H]2C=C[C@]3(C1C(=O)N(C3)CCc1c[nH]c3c1cccc3)O2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H27N3O4 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4/c1-29-12-4-10-24-21(27)19-18-7-9-23(30-18)14-26(22(28)20(19)23)11-8-15-13-25-17-6-3-2-5-16(15)17/h2-3,5-7,9,13,18-20,25H,4,8,10-12,14H2,1H3,(H,24,27)/t18-,19?,20?,23-/m0/s1InChIKey
VXZFZKIZFJIYBG-VKDVSPNTSA-NSynonyms
(1~(R)7~(S))3(2(1~(H)indol3yl)ethyl)~(N)(3methoxypropyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxamide
(3aR6S)2(2(1Hindol3yl)ethyl)N(3methoxypropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamide
132934051
COCCCNC(=O)(C@@H)1(C@H)2C=C(C@@)3((C@H)1C(=O)N(C3)CCc1c(nH)c3c1cccc3)O2
InChI=1SC23H27N3O4c129124102421(27)19187923(3018)1426(22(28)20(19)23)11815132517632516(15)17h2357913182025H48101214H21H3(H2427)t1819?20?23m0s1
ZINC000015894199
ZINC000015894202
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